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A multiscale scheme combining molecular dynamics (MD) and microscopic phase-field theory is proposed to study the structural phase transformations in solids with inhomogeneous strain field. The approach calculates strain response based on…

Materials Science · Physics 2007-05-23 Zhi-Rong Liu , Huajian Gao

Phase field models for two-phase flow with a surfactant soluble in possibly both fluids are derived from balance equations and an energy inequality so that thermodynamic consistency is guaranteed. Via a formal asymptotic analysis, they are…

Fluid Dynamics · Physics 2013-03-12 Harald Garcke , Kei Fong Lam , Björn Stinner

Inspired by recent experiments, we present a phase-field model of microphase separation in an elastomer swollen with a solvent. The imbalance between the molecular scale of demixing and the mesoscopic scale beyond which elasticity operates…

Soft Condensed Matter · Physics 2025-09-05 Manu Mannattil , Haim Diamant , David Andelman

The coexistence of different ferroelectric phases enables the tunability of the macroscopic properties and extensive applications from piezoelectric transducers to nonvolatile memories. Here we develop a thermodynamic model to predict the…

Materials Science · Physics 2022-01-26 Yang Zhang , Fei Xue , Bo Wang , Jia-Mian Hu , Shuai Dong , Jun-Ming Liu , Long-Qing Chen

This work presents a general finite element formulation based on a six--field variational principle that incorporates the consistent couple stress theory. A simple, efficient and local iteration free solving procedure that covers both…

Numerical Analysis · Mathematics 2022-07-07 Theodore L. Chang , Chin-Long Lee

This paper presents an overview of the theories and computer implementation aspects of phase field models (PFM) of fracture. The advantage of PFM over discontinuous approaches to fracture is that PFM can elegantly simulate complicated…

Geophysics · Physics 2023-09-11 X. Zhuang , S. Zhou , G. D. Huynh , P. Areias , T. Rabczuk

This paper concludes a three-part effort aimed at developing a consistent and unified framework for the phase-field modeling of cohesive fracture. Building on the theoretical foundations established in the first two parts, which included a…

Analysis of PDEs · Mathematics 2025-07-31 Roberto Alessi , Francesco Colasanto , Matteo Focardi

Knowledge about grain boundary migration is a prerequisite for understanding and ultimately modulating the properties of polycrystalline materials. Evidence from experiments and molecular dynamics (MD) simulations suggests that the…

Materials Science · Physics 2021-12-08 Mahi Gokuli , Brandon Runnels

An electric-field-induced phase transition and pattern formation in a binary dielectric fluid layer are studied using a coarse-grained free energy functional. The electrostatic part of the free energy is a nonlinear functional of the…

Soft Condensed Matter · Physics 2007-05-23 M. D. Johnson , X. Duan , Brett Riley , Aniket Bhattacharya , Weili Luo

Nonequilibrium conditions fundamentally change how systems undergo phase separation. In systems with temperature gradients, attractive particles have been shown to form periodic patterns and steady convective currents, but a clear…

Statistical Mechanics · Physics 2026-03-09 Meander Van den Brande , François Huveneers , Kyosuke Adachi

The investigation of the Hamiltonian dynamical counterpart of phase transitions, combined with the Riemannian geometrization of Hamiltonian dynamics, has led to a preliminary formulation of a differential-topological theory of phase…

Statistical Mechanics · Physics 2022-08-19 Matteo Gori , Roberto Franzosi , Giulio Pettini , Marco Pettini

Understanding multiphase flows is vital to addressing some of our most pressing human needs: clean air, clean water and the sustainable production of food and energy. This article focuses on a subset of multiphase flows called…

Fluid Dynamics · Physics 2020-07-24 Shankar Subramaniam

We compare time-dependent solutions of different phase-field models for dendritic solidification in two dimensions, including a thermodynamically consistent model and several ad hoc models. The results are identical when the phase-field…

Materials Science · Physics 2009-10-31 Yung-Tae Kim , Nikolas Provatas , Nigel Goldenfeld , Jonathan Dantzig

Phase separation has emerged as an essential concept for the spatial organization inside biological cells. However, despite the clear relevance to virtually all physiological functions, we understand surprisingly little about what phases…

Biological Physics · Physics 2022-08-10 David Zwicker , Liedewij Laan

In the last ten years, the phase-field method has gained much attention as a novel method to simulate fracture due to its straightforward way allowing to cover crack initiation and propagation without additional conditions. More recently,…

Materials Science · Physics 2023-05-31 Martha Kalina , Tom Schneider , Jörg Brummund , Markus Kästner

A self-consistent many-body approach is proposed to build a first-principles crystal field theory, where crystal field parameters are calculated ab initio. Many-body theory is used to write the energy of the interacting system as a function…

Strongly Correlated Electrons · Physics 2010-09-17 Christian Brouder

This paper presents a novel phase-field-based methodology for solving minimum compliance problems in topology optimization under fixed external loads and body forces. The proposed framework characterizes the optimal structure through an…

Optimization and Control · Mathematics 2025-07-23 Huangxin Chen , Piaopiao Dong , Dong Wang , Xiao-Ping Wang

The conditions of multi-phase equilibrium are solved for generic polydisperse systems. The case of multiple polydispersity is treated, where several properties (e.g. size, charge, shape) simultaneously vary from one particle to another. By…

Statistical Mechanics · Physics 2009-10-31 R. M. L. Evans

Confluent cell monolayers and epithelia tissues show remarkable patterns and correlations in structural arrangements and actively-driven collective flows. We simulate these properties using multiphase field models. The models are based on…

Soft Condensed Matter · Physics 2021-12-08 Dennis Wenzel , Axel Voigt

In this work, an LES model with finite-rate phase change and subgrid spray based on a high-resolution numerical scheme for multiphase multi-component simulations which satisfies interface equilibrium and phase immiscibility conditions is…

Fluid Dynamics · Physics 2026-04-28 Henry Collis , Shahab Mirjalili , Makrand Khanwale , Ali Mani , Gianluca Iaccarino
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